Basic information
- CAS
5330-52-9- Standard SMILES
O=[N+]([O-])C1CC(Br)C(Br)CC1c1ccccc1- InChIKey
ZZMHCBQSLIKVAU-UHFFFAOYSA-N- Molecular formula
- C12H13Br2NO2
- Average molar mass
- 363.04 g/mol
- Monoisotopic mass
- 360.9313
Names & identifiers
- Preferred name
- (4,5-Dibromo-2-nitrocyclohexyl)benzene
- IUPAC
- (4,5-dibromo-2-nitrocyclohexyl)benzene
Names & synonyms
(4,5-DIBROMO-2-NITROCYCLOHEXYL)BENZENE5330-52-9NSC2487DTXSID20277474NSC-2487
Database identifiers
- CAS
5330-52-9- PubChem CID
- 220156
- DTXSID
DTXSID20277474
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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